2-(2,4-dimethylquinolin-3-yl)-N-[4-(4-methylsulfonylphenyl)-1,3-thiazol-2-yl]-N-prop-2-enylacetamide

C26H25N3O3S2 — CID 17425049

About 2-(2,4-dimethylquinolin-3-yl)-N-[4-(4-methylsulfonylphenyl)-1,3-thiazol-2-yl]-N-prop-2-enylacetamide

2-(2,4-dimethylquinolin-3-yl)-N-[4-(4-methylsulfonylphenyl)-1,3-thiazol-2-yl]-N-prop-2-enylacetamide (PubChem CID 17425049) has the molecular formula C26H25N3O3S2 and a molecular weight of 491.64 g/mol. Its IUPAC name is 2-(2,4-dimethylquinolin-3-yl)-N-[4-(4-methylsulfonylphenyl)-1,3-thiazol-2-yl]-N-prop-2-enylacetamide.

Molecular Properties

• Compound Name: 2-(2,4-dimethylquinolin-3-yl)-N-[4-(4-methylsulfonylphenyl)-1,3-thiazol-2-yl]-N-prop-2-enylacetamide
• PubChem CID: 17425049
• Molecular Formula: C26H25N3O3S2
• Molecular Weight: 491.64 g/mol
• Exact Mass: 491.13
• IUPAC Name: 2-(2,4-dimethylquinolin-3-yl)-N-[4-(4-methylsulfonylphenyl)-1,3-thiazol-2-yl]-N-prop-2-enylacetamide
• SMILES: C=CCN(C(=O)Cc1c(C)nc2ccccc2c1C)c1nc(-c2ccc(S(C)(=O)=O)cc2)cs1
• InChI: InChI=1S/C26H25N3O3S2/c1-5-14-29(25(30)15-22-17(2)21-8-6-7-9-23(21)27-18(22)3)26-28-24(16-33-26)19-10-12-20(13-11-19)34(4,31)32/h5-13,16H,1,14-15H2,2-4H3
• InChIKey: WZQNUCDZLWGFII-UHFFFAOYSA-N
• XLogP: 5.14
• TPSA: 80.23 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	491.64
LogP ≤ 5	5.14
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dimethylquinolin-3-yl)-N-[4-(4-methylsulfonylphenyl)-1,3-thiazol-2-yl]-N-prop-2-enylacetamide?

The IUPAC name of 2-(2,4-dimethylquinolin-3-yl)-N-[4-(4-methylsulfonylphenyl)-1,3-thiazol-2-yl]-N-prop-2-enylacetamide (CID 17425049) is 2-(2,4-dimethylquinolin-3-yl)-N-[4-(4-methylsulfonylphenyl)-1,3-thiazol-2-yl]-N-prop-2-enylacetamide.

What is the SMILES notation for 2-(2,4-dimethylquinolin-3-yl)-N-[4-(4-methylsulfonylphenyl)-1,3-thiazol-2-yl]-N-prop-2-enylacetamide?

The canonical SMILES for 2-(2,4-dimethylquinolin-3-yl)-N-[4-(4-methylsulfonylphenyl)-1,3-thiazol-2-yl]-N-prop-2-enylacetamide is C=CCN(C(=O)Cc1c(C)nc2ccccc2c1C)c1nc(-c2ccc(S(C)(=O)=O)cc2)cs1.

What is the InChIKey of 2-(2,4-dimethylquinolin-3-yl)-N-[4-(4-methylsulfonylphenyl)-1,3-thiazol-2-yl]-N-prop-2-enylacetamide?

The InChIKey is WZQNUCDZLWGFII-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N3O3S2/c1-5-14-29(25(30)15-22-17(2)21-8-6-7-9-23(21)27-18(22)3)26-28-24(16-33-26)19-10-12-20(13-11-19)34(4,31)32/h5-13,16H,1,14-15H2,2-4H3.

What are the key properties of 2-(2,4-dimethylquinolin-3-yl)-N-[4-(4-methylsulfonylphenyl)-1,3-thiazol-2-yl]-N-prop-2-enylacetamide?

2-(2,4-dimethylquinolin-3-yl)-N-[4-(4-methylsulfonylphenyl)-1,3-thiazol-2-yl]-N-prop-2-enylacetamide has a molecular weight of 491.64 g/mol, XLogP of 5.14, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(2,4-dimethylquinolin-3-yl)-N-[4-(4-methylsulfonylphenyl)-1,3-thiazol-2-yl]-N-prop-2-enylacetamide is sourced from PubChem (CID 17425049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).